Spectrum Details
MiMe ID:MMDBc0031619
Compound name:L-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-00dm-2029500000-29c2f1849c59dd022979
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Negative
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C18H31N5O9
Molecular Weight (Monoisotopic Mass):461.2122 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file738 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-PZALOI)Download file738 Bytes
mzML formatted file (MZML)Download file4.58 KB
References
  1. Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.